2-(diethylamino)ethyl 4-amino-2-propoxybenzoate

C16H26N2O3 — CID 6843

IUPAC2-(diethylamino)ethyl 4-amino-2-propoxybenzoate
SMILESCCCOc1cc(N)ccc1C(=O)OCCN(CC)CC
InChIInChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
InChIKeyCAJIGINSTLKQMM-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.56
Rot. Bonds9

About 2-(diethylamino)ethyl 4-amino-2-propoxybenzoate

2-(diethylamino)ethyl 4-amino-2-propoxybenzoate (PubChem CID 6843) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-amino-2-propoxybenzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-amino-2-propoxybenzoate
PubChem CID6843
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-(diethylamino)ethyl 4-amino-2-propoxybenzoate
SMILESCCCOc1cc(N)ccc1C(=O)OCCN(CC)CC
InChIInChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
InChIKeyCAJIGINSTLKQMM-UHFFFAOYSA-N
XLogP2.56
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Oxybuprocaine
CID 4633
Otilonium Bromide
CID 72092
Ethopabate
CID 6034
Phenyl 4-aminosalicylate
CID 8609
Oxybuprocaine Hydrochloride
CID 6420040
Propoxycaine Hydrochloride
CID 11078
2-Methoxy-4-amino-5-chlorobenzoic acid 2-(diethylamino)ethyl ester
CID 5191
Otilonium
CID 72093
ML 10375
CID 9905972
4-Amino-o-anisic acid
CID 75599
ML 10302
CID 5311299
Hydroxytetracaine
CID 71630

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-amino-2-propoxybenzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-amino-2-propoxybenzoate (CID 6843) is 2-(diethylamino)ethyl 4-amino-2-propoxybenzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-amino-2-propoxybenzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-amino-2-propoxybenzoate is CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC.
What is the InChIKey of 2-(diethylamino)ethyl 4-amino-2-propoxybenzoate?
The InChIKey is CAJIGINSTLKQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 4-amino-2-propoxybenzoate?
2-(diethylamino)ethyl 4-amino-2-propoxybenzoate has a molecular weight of 294.39 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-amino-2-propoxybenzoate is sourced from PubChem (CID 6843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).